Home > Compound List > Compound details
1013-25-8 molecular structure
click picture or here to close

1-(2,5-dimethylphenyl)piperazine

ChemBase ID: 239710
Molecular Formular: C12H18N2
Molecular Mass: 190.28472
Monoisotopic Mass: 190.14699859
SMILES and InChIs

SMILES:
c1(N2CCNCC2)c(ccc(c1)C)C
Canonical SMILES:
Cc1ccc(cc1N1CCNCC1)C
InChI:
InChI=1S/C12H18N2/c1-10-3-4-11(2)12(9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKey:
YRIFWVMRUFKWLM-UHFFFAOYSA-N

Cite this record

CBID:239710 http://www.chembase.cn/molecule-239710.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,5-dimethylphenyl)piperazine
IUPAC Traditional name
1-(2,5-dimethylphenyl)piperazine
Synonyms
1-(2,5-dimethylphenyl)piperazine
1-(2,5-Dimethylphenyl)piperazine
1-(2,5-二甲基苯基)哌嗪
CAS Number
1013-25-8
EC Number
213-795-6
MDL Number
MFCD00038378
Beilstein Number
611229
PubChem SID
164295620
PubChem CID
70542

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 70542 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.4400389  LogD (pH = 7.4) 1.0682583 
Log P 2.572204  Molar Refractivity 61.3244 cm3
Polarizability 23.19058 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
42 - 45°C expand Show data source
42-47°C expand Show data source
Boiling Point
154°C/10mm expand Show data source
Hydrophobicity(logP)
2.079 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3259 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
95% expand Show data source
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle